BioLiP

PDB

BioLiP

PDB CCD ID:

UOB

Number of entries in BioLiP:

Chemical formula:

C11 H17 N2 O10 P

InChI:

InChI=1S/C11H17N2O10P/c1-20-7-8(15)11(21-2,5-22-24(17,18)19)23-9(7)13-4-3-6(14)12-10(13)16/h3-4,7-9,15H,5H2,1-2H3,(H,12,14,16)(H2,17,18,19)/t7-,8+,9-,11+/m1/s1

InChIKey:

PQPFDVLUCHRYPP-LOKLDPHHSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CO[C@@H]1[C@H](O)[C@@](CO[P](O)(O)=O)(OC)O[C@H]1N2C=CC(=O)NC2=O
ACDLabs 12.01	C1(OC(C(C1OC)O)(COP(O)(=O)O)OC)N2C(NC(C=C2)=O)=O
OpenEye OEToolkits 2.0.6	COC1C(C(OC1N2C=CC(=O)NC2=O)(COP(=O)(O)O)OC)O
OpenEye OEToolkits 2.0.6	CO[C@@H]1[C@@H]([C@@](O[C@H]1N2C=CC(=O)NC2=O)(COP(=O)(O)O)OC)O
CACTVS 3.385	CO[CH]1[CH](O)[C](CO[P](O)(O)=O)(OC)O[CH]1N2C=CC(=O)NC2=O

Name:

2'-OMe,4'beta-OMe uridine 5'-(dihydrogen phosphate)

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).